UCSF

ZINC21784363

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 6.08 -10.89 2 6 0 84 410.293 4
Mid Mid (pH 6-8) 3.71 4.14 -43.42 1 6 -1 87 409.285 4
Mid Mid (pH 6-8) 3.25 5.54 -16.59 2 6 0 84 410.293 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )